| SpectraBase Compound ID | 1nghANePe3G |
|---|---|
| InChI | InChI=1S/C37H40Cl2N4O17P2/c1-20-16-42(36(48)40-34(20)46)31-14-27(57-33(45)13-4-22(3)44)29(55-31)19-54-62(52,59-26-11-7-24(39)8-12-26)60-28-15-32(43-17-21(2)35(47)41-37(43)49)56-30(28)18-53-61(50,51)58-25-9-5-23(38)6-10-25/h5-12,16-17,27-32H,4,13-15,18-19H2,1-3H3,(H,50,51)(H,40,46,48)(H,41,47,49)/t27-,28-,29+,30+,31+,32+,62?/m0/s1 |
| InChIKey | AQQZFIYXDUCORU-UDLXGFRFSA-N |
| Mol Weight | 945.6 g/mol |
| Molecular Formula | C37H40Cl2N4O17P2 |
| Exact Mass | 944.124075 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G0FZ80Yt5B |
|---|---|
| Name | DIPHOSPHORILATED DITHYMIDILATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H40Cl2N4O17P2 |
| InChI | InChI=1S/C37H40Cl2N4O17P2/c1-20-16-42(36(48)40-34(20)46)31-14-27(57-33(45)13-4-22(3)44)29(55-31)19-54-62(52,59-26-11-7-24(39)8-12-26)60-28-15-32(43-17-21(2)35(47)41-37(43)49)56-30(28)18-53-61(50,51)58-25-9-5-23(38)6-10-25/h5-12,16-17,27-32H,4,13-15,18-19H2,1-3H3,(H,50,51)(H,40,46,48)(H,41,47,49)/t27-,28-,29+,30+,31+,32+,62?/m0/s1 |
| InChIKey | AQQZFIYXDUCORU-UDLXGFRFSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | V.F.ZARYTOVA, E.M.IVANOVA, M.N.CHASOVSKIKH (1990) Bioorganich.Khim.(Russ.Lang.): v.16, N5, 610-616. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CHCl3 chloroform |